NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7498 8.1633 120.2779 55.3482 34.2622 173.8503 2 K 4.7270 8.9512 119.5177 53.8990 37.0291 173.6408 3 K 4.7651 9.9245 126.8316 55.3804 34.6636 174.8530 4 I 4.8043 9.2081 128.7016 59.5837 39.6878 174.0531 5 E 5.1310 9.3543 128.9718 54.3448 32.0670 174.2660 6 A 4.9377 8.9119 129.2463 50.0628 22.3384 174.6340 7 I 4.7951 8.3981 123.9515 59.6940 39.2206 174.9915 8 I 4.8976 8.7738 120.4348 58.3085 41.6953 174.9922 9 K 4.3447 8.1932 121.3045 55.4804 32.7806 176.4657 10 P 4.2281 0.0000 0.0000 65.9647 31.0589 178.8952 11 F 4.4192 8.1980 111.1207 59.2052 38.1754 176.5745 12 K 4.0312 7.2407 117.9636 56.6467 31.9125 178.2324 13 L 3.8768 7.6750 122.2535 58.4904 41.9750 178.6176 14 D 4.3368 8.0236 118.0409 57.3283 40.7236 178.5227 15 E 3.9381 8.0616 118.6043 59.4517 29.5844 179.4480 16 V 3.5279 7.8716 118.3103 65.6787 31.5866 177.9189 17 K 3.8961 8.2809 119.6783 59.6289 32.0547 178.5322 18 D 4.3198 8.2898 118.9249 57.3843 40.6374 178.5671 19 A 4.1724 8.2336 121.4625 55.2328 18.3085 179.7580 20 L 3.9392 8.0900 117.5263 57.8509 41.7062 179.7770 21 V 3.6002 7.9047 118.2394 65.9785 31.1960 177.8024 22 E 4.0232 8.1060 117.7359 59.1946 29.3583 178.4605 23 I 4.2753 7.2347 110.3166 60.8954 37.8483 176.4359 24 G 3.8955 7.7859 107.6157 45.7819 0.0000 173.8859 25 I 3.8818 7.5510 121.2021 60.8514 37.3682 176.6360 26 G 3.7319 8.8340 115.2927 48.0075 0.0000 173.4206 27 G 4.2440 7.5587 105.9243 44.6754 0.0000 171.2300 28 M 4.9105 8.0345 114.9701 54.4866 33.9417 173.9233 29 T 4.6723 8.8119 117.3340 61.7938 71.6411 173.2880 30 V 4.9542 8.4195 125.1399 61.4161 34.3340 174.6489 31 T 4.7395 8.7399 123.1197 61.7007 72.6210 172.7951 32 E 4.5558 8.7583 124.9016 56.1981 30.5601 176.1991 33 V 4.5833 8.5114 116.5338 59.8467 36.8834 174.0600 34 K 5.0077 8.1179 119.2790 55.3849 35.8504 176.2631 35 G 4.2485 9.2368 109.1436 45.9934 0.0000 172.3252 36 F 4.9425 8.1241 119.1908 56.6749 41.9341 175.0323 *54 D 4.2786 8.5518 118.5458 53.8290 41.5641 174.3275 55 F 5.1706 8.5991 120.1769 56.7419 40.3068 175.3624 56 L 5.0808 8.9265 125.8750 52.0141 44.6076 174.2625 57 P 4.8986 0.0000 0.0000 63.1701 32.4459 175.3307 58 K 4.8185 9.1778 120.9851 55.0765 37.6933 174.8410 59 V 4.7429 8.9750 120.5058 61.1221 34.5943 173.8721 60 K 4.9152 9.0371 129.3991 54.8944 34.1463 174.7153 61 I 4.9601 8.8824 128.3293 59.5600 40.2586 174.4039 62 E 5.1924 9.2330 125.3767 54.7491 33.0609 175.3566 63 V 4.7545 8.7691 116.3423 59.5362 36.5371 174.4825 64 V 4.7894 8.3909 122.5314 61.3899 33.8057 174.8637 65 V 4.6638 8.8183 120.0060 59.3150 36.7512 175.1763 66 R 4.3377 8.4386 120.0501 56.0997 30.4640 177.6610 67 D 4.4138 8.9718 121.3977 57.8683 40.5972 179.1249 68 E 4.1365 8.1341 115.1845 58.1752 30.3189 177.4527 69 D 4.7063 8.1499 119.4813 54.3541 41.4335 178.2012 70 V 3.5736 7.3818 119.7072 66.2647 31.4588 177.5374 71 E 3.9406 8.1708 117.5390 59.3809 29.3430 179.2052 72 K 3.9029 7.9843 119.0642 59.4309 32.3357 178.8823 73 V 3.5638 7.6790 118.1169 65.8930 31.3871 178.1449 74 V 3.5629 8.0652 118.2977 66.0320 31.3413 177.7667 75 E 3.9344 8.3780 118.4370 59.8063 29.3564 179.4914 76 T 3.8626 7.9709 115.5876 66.7102 68.4490 176.7996 77 I 3.6721 7.8296 121.6236 64.2121 37.2365 178.6126 78 V 3.5243 7.9369 119.1954 66.0512 31.1751 178.0904 79 K 3.9351 8.1278 117.0831 59.9636 31.9651 179.1159 80 T 4.0728 7.8860 114.5312 65.7326 68.6066 176.1248 81 A 4.3663 7.8948 120.3599 51.3448 19.8008 177.0498 82 Q 4.2357 7.4773 119.4767 56.1070 29.4824 175.6850 83 T 4.4618 10.0735 114.8260 60.9528 70.5585 175.1682 84 G 3.9590 8.8192 110.0521 45.1508 0.0000 173.6250 85 R 4.4300 7.0836 118.1327 54.3879 31.5785 176.3488 86 V 3.6263 7.9785 119.1487 64.5240 31.0385 176.1370 87 G 4.0173 8.9383 113.3852 45.7616 0.0000 174.9833 88 D 4.3749 7.9092 120.3935 55.6724 41.0066 175.3873 89 G 4.1912 7.5360 102.9145 44.8695 0.0000 172.2304 90 K 4.6483 8.0346 115.6229 54.7428 37.0071 175.6037 91 I 4.6033 7.9685 121.4043 59.4943 40.2347 174.9906 92 F 5.2301 9.2805 125.8610 55.7728 42.0924 174.3068 93 I 4.8805 8.5662 123.5400 59.7511 38.9276 175.0129 94 I 4.7613 8.6977 128.2327 58.4709 40.6379 173.4445 95 P 4.7048 0.0000 0.0000 62.7884 32.2617 175.6269 96 V 4.4048 8.0248 122.1037 61.4315 32.9870 175.3759 97 E 4.2279 9.0073 126.9804 57.9136 30.1059 175.8423 98 D 4.4518 7.2347 114.5197 53.3331 43.9714 174.5827 99 V 4.5667 7.8732 123.0509 61.1367 35.1184 174.0277 100 I 4.9291 8.2862 126.9063 59.4823 40.5288 174.7274 101 R 4.2263 9.2658 128.2433 55.2657 30.3647 177.0504 102 I 3.6421 8.6019 128.3557 64.4714 37.4991 177.4803 103 R 4.0438 8.1845 119.3365 58.7844 29.9276 176.8813 104 T 4.3412 8.0363 105.0293 60.7637 70.5516 175.2076 105 G 3.9553 8.8708 110.0516 44.9540 0.0000 173.6147 106 E 4.0848 7.9765 119.8621 56.5360 30.0711 176.1763 107 R 5.0505 8.0580 119.4903 54.3626 35.1062 176.5879 108 G 3.8237 8.7037 107.8606 46.4326 0.0000 176.1242 109 E 3.9621 8.9466 118.9762 59.7462 29.4835 179.1308 110 Q 4.0776 7.8582 115.8756 57.6528 28.8110 176.5694 111 A 4.4766 8.3231 119.6514 50.8277 19.9394 176.6178 112 I 3.5519 7.3775 114.7218 61.1953 39.0222 173.4237 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.75 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.95 4.73 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.60 7.81 3 K 9.92 4.77 0.00 1.81 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 I 9.21 4.80 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.88 0.89 0.00 0.00 5 E 9.35 5.13 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 6 A 8.91 4.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.80 1.74 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.17 0.86 0.00 0.00 8 I 8.77 4.90 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.81 0.00 0.00 9 K 8.19 4.34 0.00 1.39 1.61 0.00 1.72 0.00 0.00 2.09 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.56 1.49 7.81 10 P 0.00 4.23 0.00 2.23 2.15 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 11 F 8.20 4.42 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.24 4.03 0.00 1.61 1.64 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 1.15 7.81 13 L 7.67 3.88 0.00 1.76 1.72 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.02 4.34 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.06 3.94 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 16 V 7.87 3.53 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 17 K 8.28 3.90 0.00 1.87 1.97 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.62 7.81 18 D 8.29 4.32 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.23 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.09 3.94 0.00 1.84 1.71 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 22 E 8.11 4.02 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 23 I 7.23 4.28 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.67 0.95 0.00 0.00 24 G 7.79 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.55 3.88 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.93 0.00 0.00 26 G 8.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.03 4.91 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 29 T 8.81 4.67 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 30 V 8.42 4.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 31 T 8.74 4.74 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 32 E 8.76 4.56 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 33 V 8.51 4.58 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 34 K 8.12 5.01 0.00 1.27 1.50 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 35 G 9.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.12 4.94 0.00 3.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 D 8.55 4.28 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.60 5.17 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.93 5.08 0.00 1.67 1.63 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.90 0.00 2.10 2.08 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 58 K 9.18 4.82 0.00 1.60 1.80 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.52 7.81 59 V 8.98 4.74 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.91 0.00 0.00 60 K 9.04 4.92 0.00 1.82 1.62 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.37 7.81 61 I 8.88 4.96 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.88 0.00 0.00 62 E 9.23 5.19 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 63 V 8.77 4.75 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 64 V 8.39 4.79 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 65 V 8.82 4.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 66 R 8.44 4.34 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 67 D 8.97 4.41 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.13 4.14 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 69 D 8.15 4.71 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.38 3.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.03 0.00 0.00 71 E 8.17 3.94 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 72 K 7.98 3.90 0.00 1.86 1.94 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 73 V 7.68 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 74 V 8.07 3.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 75 E 8.38 3.93 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 76 T 7.97 3.86 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 77 I 7.83 3.67 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.84 0.00 0.00 78 V 7.94 3.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 79 K 8.13 3.94 0.00 1.90 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.60 7.81 80 T 7.89 4.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 81 A 7.89 4.37 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.48 4.24 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 83 T 10.07 4.46 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 84 G 8.82 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.08 4.43 0.00 1.81 1.91 0.00 3.36 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 86 V 7.98 3.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 87 G 8.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.91 4.37 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.54 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.03 4.65 0.00 1.18 1.38 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 91 I 7.97 4.60 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.85 0.00 0.00 92 F 9.28 5.23 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.57 4.88 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.93 0.00 0.00 94 I 8.70 4.76 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.91 0.00 0.00 95 P 0.00 4.70 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.02 4.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 97 E 9.01 4.23 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 98 D 7.23 4.45 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.87 4.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 100 I 8.29 4.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.96 0.00 0.00 101 R 9.27 4.23 0.00 1.84 1.81 0.00 3.16 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 102 I 8.60 3.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.91 0.00 0.00 103 R 8.18 4.04 0.00 1.76 1.96 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 8.04 4.34 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 105 G 8.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.98 4.08 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 107 R 8.06 5.05 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 108 G 8.70 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.95 3.96 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 110 Q 7.86 4.08 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 111 A 8.32 4.48 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.38 3.55 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.